N-[(2S,3R,6R)-1,3,6-tris(oxidanyl)octadec-4-yn-2-yl]octanamide

Systemtic Name: N-[(2S,3R,6R)-1,3,6-tris(oxidanyl)octadec-4-yn-2-yl]octanamide Openeye Name: N-[(1S,2R,5R)-2,5-dihydroxy-1-(hydroxymethyl)heptadec-3-ynyl]octanamide CAS Name: N-[(2S,3R,6R)-1,3,6-trihydroxyoctadec-4-yn-2-yl]octanamide IUPAC Name: N-[(2S,3R,6R)-1,3,6-trihydroxyoctadec-4-yn-2-yl]octanamide Traditional Name: N-[(1S,2R,5R)-2,5-dihydroxy-1-methylol-heptadec-3-ynyl]caprylamide Formula: C26H49NO4 MolecularWeight: 439.67156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C#CC(C(CO)NC(=O)CCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCC[C@H](C#C[C@H]([C@H](CO)NC(=O)CCCCCCC)O)O

InChI

InChI=1S/C26H49NO4/c1-3-5-7-9-10-11-12-13-15-16-18-23(29)20-21-25(30)24(22-28)27-26(31)19-17-14-8-6-4-2/h23-25,28-30H,3-19,22H2,1-2H3,(H,27,31)/t23-,24+,25-/m1/s1